4OLO

Ligand-free structure of the GrpU microcompartment shell protein from Clostridiales bacterium 1_7_47FAA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	P 21 3
Unit cell lengths	130.100, 130.100, 130.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.840 - 2.500
R-factor	0.1931
Rwork	0.190
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.260
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.840		2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.045	0.015	0.015
Number of reflections	25255	236	1892
<I/σ(I)>	17.55	57.27	1.06
Completeness [%]	98.3	71.7	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	296	0.1M sodium acetate, 2.0M ammonium sulfate, pH 4.5, vapor diffusion, hanging drop, temperature 296K